Compound Detail
CHEMBL3944056
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#N)c2c(=O)n1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3944056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZMBWMCGMCGGMW-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
2.98
ALogP
8
HBA
2
HBD
131.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expr... | 27660692 |
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta... | 27660692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27660692 | 10.1021/acsmedchemlett.6b00238 | PI3-kinase p110-delta/p85-alpha | 1 |
| 27660692 | 10.1021/acsmedchemlett.6b00238 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine